(E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol

C16H15IO — CID 67145582

IUPAC(E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol
SMILESCc1ccc(/C(=C\CO)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H15IO/c1-12-2-4-13(5-3-12)16(10-11-18)14-6-8-15(17)9-7-14/h2-10,18H,11H2,1H3/b16-10+
InChIKeyCSTVKYZDYREYTG-MHWRWJLKSA-N
MW350.20 g/mol
LogP4.02
Rot. Bonds3

About (E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol

(E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol (PubChem CID 67145582) has the molecular formula C16H15IO and a molecular weight of 350.20 g/mol. Its IUPAC name is (E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol
PubChem CID67145582
Molecular FormulaC16H15IO
Molecular Weight350.20 g/mol
Exact Mass350.02
IUPAC Name(E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol
SMILESCc1ccc(/C(=C\CO)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H15IO/c1-12-2-4-13(5-3-12)16(10-11-18)14-6-8-15(17)9-7-14/h2-10,18H,11H2,1H3/b16-10+
InChIKeyCSTVKYZDYREYTG-MHWRWJLKSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol
CID 19261799
(Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol
CID 141177290
(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 19261685
(Z)-3-(4-iodophenyl)but-2-en-1-ol
CID 22557590
3-(4-cyclopropylsulfanylphenyl)-3-(4-iodophenyl)prop-2-en-1-ol
CID 67145776
3,3-bis(4-fluorophenyl)prop-2-en-1-ol
CID 71352890
1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene
CID 21107287
1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
CID 102093677
acetaldehyde;1-iodo-4-methylbenzene
CID 142221579
(Z)-3-cyclopropyl-3-(4-methylphenyl)prop-2-en-1-ol
CID 115017596
(2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol
CID 143644627
1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 175983739

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol (CID 67145582) is (E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol is Cc1ccc(/C(=C\CO)c2ccc(I)cc2)cc1.
What is the InChIKey of (E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol?
The InChIKey is CSTVKYZDYREYTG-MHWRWJLKSA-N. The full InChI is InChI=1S/C16H15IO/c1-12-2-4-13(5-3-12)16(10-11-18)14-6-8-15(17)9-7-14/h2-10,18H,11H2,1H3/b16-10+.
What are the key properties of (E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol?
(E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol has a molecular weight of 350.20 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 67145582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).